 Entering Gaussian System, Link 0=g09
 Input=/home/long/gaussian/Cu_coord output1/plusglu/ligand_bound/newligand/Energy Calculations/crystal_high_Zn_mut_Ligand_Energy.com
 Output=/home/long/gaussian/Cu_coord output1/plusglu/ligand_bound/newligand/Energy Calculations/crystal_high_Zn_mut_Ligand_Energy.log
 Initial command:
 /home/long/gaussian/g09/l1.exe "/home/long/gaussian/Gau-3449.inp" -scrdir="/home/long/gaussian/"
 Entering Link 1 = /home/long/gaussian/g09/l1.exe PID=      3452.
  
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 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
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 Carnegie Mellon University). Gaussian is a federally registered
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 Cite this work as:
 Gaussian 09, Revision D.01,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, 
 G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, 
 A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, 
 M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, 
 Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., 
 J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, 
 K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, 
 M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, 
 V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, 
 O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, 
 R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, 
 P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, 
 O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, 
 and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013.
 
 ******************************************
 Gaussian 09:  ES64L-G09RevD.01 24-Apr-2013
                21-Jun-2020 
 ******************************************
 %mem=6GB
 %chk=crystal_high_Zn_mut_Ligand_Energy.chk
 --------------------------------------------
 # b3pw91/6-311++g(3df,3pd) geom=connectivity
 --------------------------------------------
 1/38=1,57=2/1;
 2/12=2,17=6,18=5,40=1/2;
 3/5=4,6=6,7=1616,11=2,16=1,25=1,30=1,74=-6/1,2,3;
 4//1;
 5/5=2,38=5/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 99/5=1,9=1/99;
 ----
 5h8x
 ----
 Symbolic Z-matrix:
 Charge =  1 Multiplicity = 1
 C                    -1    5.62718  -1.23455   0.93588 
 C                    0     6.13111  -0.05569   0.07646 
 C                    0     5.17928   1.15819   0.09575 
 C                    0     3.8512    0.90152  -0.61377 
 O                    0     3.72867   0.06381  -1.5524 
 O                    0     2.81933   1.65189  -0.1779 
 C                    -1    2.51889  -4.90252  -1.63464 
 C                    0     1.2567   -4.90145  -2.52288 
 C                    0     0.38687  -3.69541  -2.2891 
 C                    0     0.45003  -2.66794  -1.36196 
 N                    0    -0.7322   -3.39258  -3.08565 
 C                    0    -1.29297  -2.22184  -2.63885 
 N                    0    -0.59657  -1.76046  -1.59158 
 C                    -1   -4.49556  -3.44096   2.49541 
 C                    0    -4.83856  -1.9527    2.71586 
 C                    0    -3.92261  -1.02377   1.96397 
 C                    0    -2.91094  -1.24879   1.04314 
 N                    0    -3.96645   0.3732    2.11018 
 C                    0    -3.00665   0.93572   1.30162 
 N                    0    -2.35244  -0.02614   0.64113 
 H                    0     4.6614   -1.59886   0.56221 
 H                    0     5.50755  -0.93558   1.98818 
 H                    0     6.33535  -2.07262   0.90776 
 H                    0     7.12023   0.26373   0.43461 
 H                    0     6.25048  -0.3899   -0.96132 
 H                    0     4.96817   1.48615   1.12165 
 H                    0     5.65433   2.01073  -0.41415 
 H                    0     3.13283  -4.01365  -1.82067 
 H                    0     3.12825  -5.78835  -1.8453 
 H                    0     2.25479  -4.92255  -0.57002 
 H                    0     1.56064  -4.93162  -3.58007 
 H                    0     0.67885  -5.8197   -2.33745 
 H                    0     1.1651   -2.49747  -0.5752 
 H                    0    -1.05766  -3.94033  -3.87217 
 H                    0    -2.14841  -1.73872  -3.08189 
 H                    0    -4.58319  -3.71671   1.43728 
 H                    0    -3.47467  -3.66571   2.8268 
 H                    0    -5.18354  -4.07597   3.0643 
 H                    0    -4.78693  -1.72599   3.79148 
 H                    0    -5.88044  -1.77265   2.41039 
 H                    0    -2.54393  -2.18533   0.65838 
 H                    0    -4.59106   0.87997   2.72455 
 H                    0    -2.79477   1.98959   1.22763 
 O                    0     0.90898   0.98544  -1.51394 
 H                    0     1.38313   0.43812  -2.1759 
 H                    0     1.83646   1.37624  -0.79721 
 C                    0    -2.79472   1.97048  -2.32212 
 O                    0    -2.12636   0.90466  -2.15223 
 N                    0    -2.21934   3.20621  -2.25645 
 C                    0    -0.77687   3.4144   -2.11162 
 C                    0    -0.29176   3.50536  -0.6584 
 O                    0    -0.76347   2.73067   0.24017 
 N                    0     0.70608   4.38757  -0.42783 
 H                    0    -0.24265   2.53899  -2.50797 
 H                    0    -0.48917   4.30394  -2.68297 
 H                    0    -2.8144    4.0196   -2.36168 
 H                    0     1.06152   4.92444  -1.21131 
 C                    0     1.4709    4.44304   0.83337 
 H                    0     2.04976   5.37073   0.8531 
 H                    0     0.77957   4.44369   1.68224 
 H                    0     2.14703   3.58143   0.89176 
 C                    0    -4.27824   1.91507  -2.63181 
 H                    0    -4.42205   1.42547  -3.60209 
 H                    0    -4.78017   1.30035  -1.87769 
 H                    0    -4.75046   2.90208  -2.66621 
 Zn                   0    -0.68213   0.11558  -0.65796 
 C                    0     1.88786  -0.37335   4.48685 
 H                    0     2.12575   0.68994   4.64921 
 H                    0     2.70793  -0.92791   4.96189 
 C                    0     1.9063   -0.71407   2.97864 
 H                    0     2.91251  -0.54636   2.56645 
 H                    0     1.68323  -1.77649   2.8296 
 O                    0     0.50238  -0.48464   1.01761 
 C                    0     0.94889   0.06034   2.0816 
 N                    0     0.61448   1.33018   2.415 
 H                    0     1.00863   1.76004   3.24041 
 H                    0     0.09193   1.91161   1.75114 
 C                    0     0.56051  -0.73535   5.18792 
 H                    0     0.35852  -1.81104   5.10217 
 H                    0     0.60192  -0.48738   6.2556 
 H                    0    -0.29045  -0.1979    4.74902 
 
 Stoichiometry    C23H44N7O6Zn(1+)
 Framework group  C1[X(C23H44N7O6Zn)]
 Deg. of freedom   237
 Full point group                 C1      NOp   1
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -5.627181    1.234548    0.935880
      2          6           0       -6.131108    0.055690    0.076462
      3          6           0       -5.179277   -1.158188    0.095753
      4          6           0       -3.851201   -0.901518   -0.613766
      5          8           0       -3.728669   -0.063806   -1.552396
      6          8           0       -2.819329   -1.651890   -0.177896
      7          6           0       -2.518886    4.902524   -1.634638
      8          6           0       -1.256701    4.901445   -2.522876
      9          6           0       -0.386869    3.695409   -2.289097
     10          6           0       -0.450031    2.667943   -1.361959
     11          7           0        0.732202    3.392583   -3.085650
     12          6           0        1.292974    2.221841   -2.638846
     13          7           0        0.596567    1.760463   -1.591578
     14          6           0        4.495556    3.440962    2.495411
     15          6           0        4.838555    1.952703    2.715859
     16          6           0        3.922614    1.023765    1.963965
     17          6           0        2.910939    1.248785    1.043145
     18          7           0        3.966451   -0.373204    2.110184
     19          6           0        3.006649   -0.935723    1.301620
     20          7           0        2.352441    0.026143    0.641126
     21          1           0       -4.661395    1.598855    0.562208
     22          1           0       -5.507553    0.935584    1.988179
     23          1           0       -6.335350    2.072625    0.907760
     24          1           0       -7.120230   -0.263732    0.434611
     25          1           0       -6.250482    0.389902   -0.961316
     26          1           0       -4.968171   -1.486151    1.121650
     27          1           0       -5.654331   -2.010729   -0.414151
     28          1           0       -3.132828    4.013652   -1.820666
     29          1           0       -3.128251    5.788347   -1.845300
     30          1           0       -2.254790    4.922545   -0.570020
     31          1           0       -1.560640    4.931615   -3.580065
     32          1           0       -0.678852    5.819702   -2.337452
     33          1           0       -1.165099    2.497471   -0.575201
     34          1           0        1.057655    3.940326   -3.872166
     35          1           0        2.148408    1.738717   -3.081892
     36          1           0        4.583185    3.716708    1.437276
     37          1           0        3.474672    3.665714    2.826804
     38          1           0        5.183535    4.075969    3.064302
     39          1           0        4.786927    1.725988    3.791480
     40          1           0        5.880444    1.772652    2.410388
     41          1           0        2.543927    2.185333    0.658378
     42          1           0        4.591063   -0.879969    2.724551
     43          1           0        2.794765   -1.989590    1.227625
     44          8           0       -0.908975   -0.985439   -1.513944
     45          1           0       -1.383126   -0.438123   -2.175897
     46          1           0       -1.836462   -1.376241   -0.797212
     47          6           0        2.794722   -1.970478   -2.322115
     48          8           0        2.126363   -0.904663   -2.152230
     49          7           0        2.219342   -3.206211   -2.256453
     50          6           0        0.776868   -3.414398   -2.111622
     51          6           0        0.291757   -3.505355   -0.658402
     52          8           0        0.763469   -2.730667    0.240171
     53          7           0       -0.706075   -4.387572   -0.427834
     54          1           0        0.242649   -2.538988   -2.507969
     55          1           0        0.489167   -4.303938   -2.682973
     56          1           0        2.814395   -4.019598   -2.361678
     57          1           0       -1.061520   -4.924444   -1.211311
     58          6           0       -1.470904   -4.443036    0.833371
     59          1           0       -2.049759   -5.370734    0.853104
     60          1           0       -0.779566   -4.443688    1.682238
     61          1           0       -2.147025   -3.581429    0.891764
     62          6           0        4.278240   -1.915065   -2.631808
     63          1           0        4.422053   -1.425465   -3.602088
     64          1           0        4.780167   -1.300350   -1.877694
     65          1           0        4.750460   -2.902076   -2.666205
     66         30           0        0.682132   -0.115577   -0.657958
     67          6           0       -1.887857    0.373354    4.486849
     68          1           0       -2.125745   -0.689936    4.649212
     69          1           0       -2.707930    0.927912    4.961891
     70          6           0       -1.906300    0.714069    2.978636
     71          1           0       -2.912508    0.546355    2.566446
     72          1           0       -1.683226    1.776487    2.829595
     73          8           0       -0.502381    0.484643    1.017612
     74          6           0       -0.948892   -0.060343    2.081603
     75          7           0       -0.614476   -1.330175    2.415001
     76          1           0       -1.008625   -1.760035    3.240409
     77          1           0       -0.091930   -1.911607    1.751143
     78          6           0       -0.560507    0.735354    5.187921
     79          1           0       -0.358524    1.811038    5.102175
     80          1           0       -0.601919    0.487375    6.255603
     81          1           0        0.290451    0.197903    4.749024
 ---------------------------------------------------------------------
 Rotational constants (GHZ):      0.0935354      0.0764036      0.0697160
 Standard basis: 6-311++G(3df,3pd) (5D, 7F)
 There are  2556 symmetry adapted cartesian basis functions of A   symmetry.
 There are  2277 symmetry adapted basis functions of A   symmetry.
  2277 basis functions,  3141 primitive gaussians,  2556 cartesian basis functions
   154 alpha electrons      154 beta electrons
       nuclear repulsion energy      5495.3913540211 Hartrees.
 NAtoms=   81 NActive=   81 NUniq=   81 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 One-electron integrals computed using PRISM.
 NBasis=  2277 RedAO= T EigKep=  1.30D-06  NBF=  2277
 NBsUse=  2273 1.00D-06 EigRej=  8.57D-07 NBFU=  2273
 ExpMin= 1.53D-02 ExpMax= 3.16D+05 ExpMxC= 1.12D+04 IAcc=3 IRadAn=         5 AccDes= 0.00D+00
 Harris functional with IExCor=  408 and IRadAn=       5 diagonalized for initial guess.
 HarFok:  IExCor=  408 AccDes= 0.00D+00 IRadAn=         5 IDoV= 1 UseB2=F ITyADJ=14
 ICtDFT=  3500011 ScaDFX=  1.000000  1.000000  1.000000  1.000000
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=     500 IOpCl=  0 I1Cent=   200000004 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Petite list used in FoFCou.
 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Restarting incremental Fock formation.
 SCF Done:  E(RB3PW91) =  -3516.83665436     A.U. after   23 cycles
            NFock= 23  Conv=0.39D-08     -V/T= 2.0033

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
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                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -347.26494 -42.22008 -37.22126 -37.22045 -37.21875
 Alpha  occ. eigenvalues --  -19.20327 -19.19665 -19.18540 -19.14903 -19.14785
 Alpha  occ. eigenvalues --  -19.12420 -14.47293 -14.46594 -14.45922 -14.44857
 Alpha  occ. eigenvalues --  -14.42400 -14.41789 -14.41638 -10.38891 -10.37828
 Alpha  occ. eigenvalues --  -10.36572 -10.33085 -10.32679 -10.31804 -10.31264
 Alpha  occ. eigenvalues --  -10.30698 -10.29729 -10.28316 -10.28118 -10.27424
 Alpha  occ. eigenvalues --  -10.27249 -10.27207 -10.26035 -10.25496 -10.25127
 Alpha  occ. eigenvalues --  -10.24333 -10.23093 -10.22903 -10.21516 -10.20631
 Alpha  occ. eigenvalues --  -10.19882  -4.87428  -3.26882  -3.26741  -3.26424
 Alpha  occ. eigenvalues --   -1.14652  -1.13301  -1.12250  -1.12090  -1.11482
 Alpha  occ. eigenvalues --   -1.09286  -1.04221  -1.03102  -1.02520  -1.00018
 Alpha  occ. eigenvalues --   -0.99850  -0.98539  -0.97818  -0.89570  -0.88542
 Alpha  occ. eigenvalues --   -0.87942  -0.87738  -0.83945  -0.83544  -0.82790
 Alpha  occ. eigenvalues --   -0.81779  -0.79414  -0.78816  -0.75412  -0.74043
 Alpha  occ. eigenvalues --   -0.72923  -0.72874  -0.72157  -0.71224  -0.70678
 Alpha  occ. eigenvalues --   -0.69654  -0.68877  -0.67994  -0.66931  -0.65900
 Alpha  occ. eigenvalues --   -0.64404  -0.63935  -0.63542  -0.63496  -0.61713
 Alpha  occ. eigenvalues --   -0.60229  -0.59462  -0.58635  -0.57556  -0.57162
 Alpha  occ. eigenvalues --   -0.56529  -0.56481  -0.56027  -0.55802  -0.55386
 Alpha  occ. eigenvalues --   -0.55208  -0.55125  -0.54887  -0.54681  -0.54460
 Alpha  occ. eigenvalues --   -0.54409  -0.53621  -0.53526  -0.53309  -0.52755
 Alpha  occ. eigenvalues --   -0.52476  -0.52404  -0.52340  -0.51894  -0.51779
 Alpha  occ. eigenvalues --   -0.51488  -0.51275  -0.50868  -0.50751  -0.50449
 Alpha  occ. eigenvalues --   -0.49858  -0.49225  -0.49019  -0.48401  -0.47491
 Alpha  occ. eigenvalues --   -0.46935  -0.46894  -0.46723  -0.46071  -0.45849
 Alpha  occ. eigenvalues --   -0.45686  -0.45480  -0.45036  -0.44834  -0.44136
 Alpha  occ. eigenvalues --   -0.43721  -0.43666  -0.43423  -0.42975  -0.42496
 Alpha  occ. eigenvalues --   -0.42458  -0.41321  -0.40367  -0.39976  -0.39407
 Alpha  occ. eigenvalues --   -0.39268  -0.38775  -0.38527  -0.38371  -0.37602
 Alpha  occ. eigenvalues --   -0.37268  -0.36941  -0.36453  -0.35043  -0.33721
 Alpha  occ. eigenvalues --   -0.33002  -0.32920  -0.32714  -0.30137
 Alpha virt. eigenvalues --   -0.11879  -0.10719  -0.09981  -0.09705  -0.09608
 Alpha virt. eigenvalues --   -0.09040  -0.08611  -0.08122  -0.07798  -0.07156
 Alpha virt. eigenvalues --   -0.06933  -0.06819  -0.06193  -0.05861  -0.05629
 Alpha virt. eigenvalues --   -0.05251  -0.05044  -0.04718  -0.04560  -0.04391
 Alpha virt. eigenvalues --   -0.04218  -0.03816  -0.03711  -0.03449  -0.03203
 Alpha virt. eigenvalues --   -0.03022  -0.02904  -0.02515  -0.02344  -0.02076
 Alpha virt. eigenvalues --   -0.01891  -0.01672  -0.01526  -0.01400  -0.01088
 Alpha virt. eigenvalues --   -0.00937  -0.00824  -0.00485  -0.00294  -0.00125
 Alpha virt. eigenvalues --    0.00042   0.00254   0.00471   0.00585   0.00995
 Alpha virt. eigenvalues --    0.01122   0.01281   0.01330   0.01468   0.01620
 Alpha virt. eigenvalues --    0.01785   0.02130   0.02242   0.02429   0.02626
 Alpha virt. eigenvalues --    0.02818   0.02897   0.02991   0.03270   0.03442
 Alpha virt. eigenvalues --    0.03601   0.03744   0.03887   0.04011   0.04143
 Alpha virt. eigenvalues --    0.04259   0.04454   0.04530   0.04757   0.04833
 Alpha virt. eigenvalues --    0.04940   0.05141   0.05276   0.05446   0.05524
 Alpha virt. eigenvalues --    0.05554   0.05750   0.05867   0.05990   0.06062
 Alpha virt. eigenvalues --    0.06365   0.06436   0.06635   0.06770   0.06948
 Alpha virt. eigenvalues --    0.07131   0.07371   0.07444   0.07625   0.07683
 Alpha virt. eigenvalues --    0.07735   0.07916   0.08025   0.08200   0.08342
 Alpha virt. eigenvalues --    0.08426   0.08611   0.08746   0.08753   0.08956
 Alpha virt. eigenvalues --    0.09008   0.09102   0.09291   0.09402   0.09553
 Alpha virt. eigenvalues --    0.09673   0.09825   0.10020   0.10073   0.10090
 Alpha virt. eigenvalues --    0.10287   0.10378   0.10466   0.10568   0.10672
 Alpha virt. eigenvalues --    0.10737   0.10836   0.10926   0.11102   0.11182
 Alpha virt. eigenvalues --    0.11263   0.11325   0.11585   0.11783   0.11851
 Alpha virt. eigenvalues --    0.11984   0.12128   0.12338   0.12532   0.12634
 Alpha virt. eigenvalues --    0.12708   0.12789   0.13021   0.13070   0.13223
 Alpha virt. eigenvalues --    0.13463   0.13564   0.13757   0.14032   0.14348
 Alpha virt. eigenvalues --    0.14460   0.14646   0.14722   0.14860   0.14994
 Alpha virt. eigenvalues --    0.15121   0.15216   0.15349   0.15654   0.15928
 Alpha virt. eigenvalues --    0.16017   0.16199   0.16322   0.16353   0.16577
 Alpha virt. eigenvalues --    0.16661   0.16849   0.16987   0.17101   0.17356
 Alpha virt. eigenvalues --    0.17454   0.17611   0.17685   0.17904   0.18210
 Alpha virt. eigenvalues --    0.18299   0.18358   0.18547   0.18654   0.18754
 Alpha virt. eigenvalues --    0.19030   0.19104   0.19245   0.19560   0.19651
 Alpha virt. eigenvalues --    0.19833   0.20006   0.20165   0.20415   0.20546
 Alpha virt. eigenvalues --    0.20663   0.20963   0.21204   0.21310   0.21407
 Alpha virt. eigenvalues --    0.21548   0.21712   0.21793   0.22075   0.22299
 Alpha virt. eigenvalues --    0.22348   0.22597   0.22688   0.22865   0.22953
 Alpha virt. eigenvalues --    0.23191   0.23354   0.23415   0.23700   0.23773
 Alpha virt. eigenvalues --    0.24154   0.24236   0.24453   0.24532   0.24770
 Alpha virt. eigenvalues --    0.24907   0.25058   0.25216   0.25364   0.25486
 Alpha virt. eigenvalues --    0.25648   0.25841   0.26008   0.26116   0.26278
 Alpha virt. eigenvalues --    0.26426   0.26576   0.26645   0.26710   0.27008
 Alpha virt. eigenvalues --    0.27122   0.27262   0.27595   0.27633   0.27783
 Alpha virt. eigenvalues --    0.27850   0.28118   0.28213   0.28435   0.28555
 Alpha virt. eigenvalues --    0.28692   0.28951   0.29128   0.29336   0.29479
 Alpha virt. eigenvalues --    0.29685   0.29946   0.30105   0.30154   0.30421
 Alpha virt. eigenvalues --    0.30893   0.30979   0.31122   0.31469   0.31571
 Alpha virt. eigenvalues --    0.31881   0.32173   0.32335   0.32460   0.32490
 Alpha virt. eigenvalues --    0.32680   0.32873   0.33010   0.33349   0.33436
 Alpha virt. eigenvalues --    0.33510   0.33657   0.34082   0.34131   0.34256
 Alpha virt. eigenvalues --    0.34579   0.34744   0.34839   0.35109   0.35500
 Alpha virt. eigenvalues --    0.35567   0.35863   0.36065   0.36109   0.36210
 Alpha virt. eigenvalues --    0.36412   0.36680   0.36708   0.36936   0.37054
 Alpha virt. eigenvalues --    0.37299   0.37460   0.37588   0.37879   0.38041
 Alpha virt. eigenvalues --    0.38242   0.38469   0.38650   0.38823   0.39052
 Alpha virt. eigenvalues --    0.39067   0.39495   0.39555   0.39883   0.40078
 Alpha virt. eigenvalues --    0.40158   0.40384   0.40480   0.40796   0.40965
 Alpha virt. eigenvalues --    0.41357   0.41622   0.41707   0.41886   0.42140
 Alpha virt. eigenvalues --    0.42486   0.42522   0.42918   0.43166   0.43273
 Alpha virt. eigenvalues --    0.43404   0.43579   0.43804   0.43908   0.44192
 Alpha virt. eigenvalues --    0.44273   0.44642   0.44672   0.44901   0.45063
 Alpha virt. eigenvalues --    0.45306   0.45589   0.45766   0.45902   0.46013
 Alpha virt. eigenvalues --    0.46261   0.46460   0.46516   0.46876   0.46983
 Alpha virt. eigenvalues --    0.47013   0.47221   0.47403   0.47596   0.47747
 Alpha virt. eigenvalues --    0.47979   0.48103   0.48216   0.48581   0.48684
 Alpha virt. eigenvalues --    0.48750   0.48780   0.48930   0.49223   0.49300
 Alpha virt. eigenvalues --    0.49481   0.49773   0.49790   0.49972   0.50214
 Alpha virt. eigenvalues --    0.50303   0.50441   0.50600   0.50708   0.50937
 Alpha virt. eigenvalues --    0.50984   0.51181   0.51395   0.51667   0.51904
 Alpha virt. eigenvalues --    0.52172   0.52289   0.52359   0.52529   0.52782
 Alpha virt. eigenvalues --    0.52948   0.52982   0.53085   0.53216   0.53403
 Alpha virt. eigenvalues --    0.53610   0.53805   0.53877   0.53969   0.54288
 Alpha virt. eigenvalues --    0.54470   0.54636   0.54809   0.55230   0.55467
 Alpha virt. eigenvalues --    0.55545   0.55695   0.55916   0.56036   0.56267
 Alpha virt. eigenvalues --    0.56439   0.56702   0.56894   0.56944   0.57365
 Alpha virt. eigenvalues --    0.57483   0.57580   0.57782   0.57965   0.58112
 Alpha virt. eigenvalues --    0.58251   0.58584   0.59007   0.59229   0.59353
 Alpha virt. eigenvalues --    0.59445   0.59839   0.59880   0.60141   0.60225
 Alpha virt. eigenvalues --    0.60442   0.60562   0.60886   0.61188   0.61382
 Alpha virt. eigenvalues --    0.61475   0.61513   0.61916   0.62060   0.62227
 Alpha virt. eigenvalues --    0.62425   0.62662   0.62918   0.62962   0.63039
 Alpha virt. eigenvalues --    0.63201   0.63484   0.63694   0.63899   0.64156
 Alpha virt. eigenvalues --    0.64251   0.64622   0.64678   0.64804   0.65185
 Alpha virt. eigenvalues --    0.65383   0.65645   0.65858   0.65989   0.66140
 Alpha virt. eigenvalues --    0.66716   0.66891   0.66955   0.67262   0.67471
 Alpha virt. eigenvalues --    0.67816   0.67856   0.68060   0.68338   0.68649
 Alpha virt. eigenvalues --    0.68855   0.69038   0.69101   0.69288   0.69526
 Alpha virt. eigenvalues --    0.69669   0.69861   0.69891   0.69983   0.70325
 Alpha virt. eigenvalues --    0.70493   0.70978   0.71111   0.71209   0.71419
 Alpha virt. eigenvalues --    0.71503   0.71816   0.72188   0.72307   0.72654
 Alpha virt. eigenvalues --    0.72736   0.72844   0.73177   0.73417   0.73552
 Alpha virt. eigenvalues --    0.73755   0.73949   0.74149   0.74250   0.74619
 Alpha virt. eigenvalues --    0.74895   0.75095   0.75265   0.75409   0.75696
 Alpha virt. eigenvalues --    0.75828   0.75867   0.75924   0.76352   0.76498
 Alpha virt. eigenvalues --    0.76672   0.76761   0.76942   0.77040   0.77172
 Alpha virt. eigenvalues --    0.77493   0.77701   0.77929   0.78094   0.78442
 Alpha virt. eigenvalues --    0.78572   0.78678   0.78796   0.78876   0.79349
 Alpha virt. eigenvalues --    0.79462   0.79646   0.79765   0.79921   0.80209
 Alpha virt. eigenvalues --    0.80468   0.80828   0.80992   0.81138   0.81554
 Alpha virt. eigenvalues --    0.81707   0.82056   0.82277   0.82585   0.82746
 Alpha virt. eigenvalues --    0.82829   0.83051   0.83108   0.83370   0.83633
 Alpha virt. eigenvalues --    0.83794   0.83928   0.84133   0.84506   0.84587
 Alpha virt. eigenvalues --    0.84704   0.84841   0.85207   0.85351   0.85661
 Alpha virt. eigenvalues --    0.85765   0.85969   0.86271   0.86389   0.86439
 Alpha virt. eigenvalues --    0.86800   0.87034   0.87122   0.87229   0.87484
 Alpha virt. eigenvalues --    0.87622   0.87962   0.88248   0.88465   0.88687
 Alpha virt. eigenvalues --    0.88762   0.89035   0.89227   0.89499   0.89694
 Alpha virt. eigenvalues --    0.89786   0.89906   0.90353   0.90549   0.90808
 Alpha virt. eigenvalues --    0.90833   0.91044   0.91537   0.91773   0.91924
 Alpha virt. eigenvalues --    0.92224   0.92315   0.92685   0.92920   0.93010
 Alpha virt. eigenvalues --    0.93153   0.93520   0.93855   0.94025   0.94314
 Alpha virt. eigenvalues --    0.94496   0.94818   0.95057   0.95129   0.95430
 Alpha virt. eigenvalues --    0.95717   0.95789   0.96072   0.96404   0.96578
 Alpha virt. eigenvalues --    0.96830   0.96985   0.97175   0.97545   0.97789
 Alpha virt. eigenvalues --    0.97952   0.98101   0.98182   0.98424   0.98539
 Alpha virt. eigenvalues --    0.98757   0.99225   0.99467   0.99784   1.00035
 Alpha virt. eigenvalues --    1.00099   1.00466   1.00846   1.00983   1.01119
 Alpha virt. eigenvalues --    1.01324   1.01440   1.01602   1.01873   1.02216
 Alpha virt. eigenvalues --    1.02258   1.02680   1.02763   1.02982   1.03126
 Alpha virt. eigenvalues --    1.03375   1.04052   1.04284   1.04407   1.04558
 Alpha virt. eigenvalues --    1.04851   1.05104   1.05191   1.05490   1.05680
 Alpha virt. eigenvalues --    1.06055   1.06347   1.06620   1.06827   1.07015
 Alpha virt. eigenvalues --    1.07293   1.07378   1.07959   1.08232   1.08276
 Alpha virt. eigenvalues --    1.08722   1.08870   1.09110   1.09433   1.09583
 Alpha virt. eigenvalues --    1.09812   1.10493   1.10552   1.10706   1.11339
 Alpha virt. eigenvalues --    1.11687   1.11843   1.12155   1.12463   1.12512
 Alpha virt. eigenvalues --    1.12909   1.13080   1.13670   1.14004   1.14238
 Alpha virt. eigenvalues --    1.14356   1.14739   1.15021   1.15175   1.15751
 Alpha virt. eigenvalues --    1.15932   1.16351   1.16623   1.16803   1.16994
 Alpha virt. eigenvalues --    1.17705   1.17885   1.18064   1.18528   1.18774
 Alpha virt. eigenvalues --    1.19258   1.19308   1.19713   1.19741   1.20099
 Alpha virt. eigenvalues --    1.20547   1.21223   1.21630   1.21837   1.22351
 Alpha virt. eigenvalues --    1.23001   1.23304   1.23802   1.24354   1.24581
 Alpha virt. eigenvalues --    1.25251   1.25850   1.25953   1.26313   1.26444
 Alpha virt. eigenvalues --    1.27156   1.27460   1.28028   1.28449   1.28623
 Alpha virt. eigenvalues --    1.29176   1.29752   1.30243   1.30365   1.30878
 Alpha virt. eigenvalues --    1.31114   1.31540   1.31716   1.32099   1.32501
 Alpha virt. eigenvalues --    1.33215   1.33584   1.33680   1.34433   1.34850
 Alpha virt. eigenvalues --    1.35294   1.35752   1.35938   1.36564   1.37037
 Alpha virt. eigenvalues --    1.37328   1.37869   1.38108   1.38527   1.38831
 Alpha virt. eigenvalues --    1.39374   1.39788   1.40324   1.40720   1.40985
 Alpha virt. eigenvalues --    1.41590   1.42194   1.42672   1.42873   1.43444
 Alpha virt. eigenvalues --    1.43630   1.44672   1.44987   1.45333   1.45511
 Alpha virt. eigenvalues --    1.46076   1.46664   1.46821   1.47011   1.47684
 Alpha virt. eigenvalues --    1.48183   1.48612   1.48736   1.49363   1.49625
 Alpha virt. eigenvalues --    1.50194   1.50327   1.51217   1.51439   1.51845
 Alpha virt. eigenvalues --    1.52317   1.52845   1.53203   1.53772   1.54372
 Alpha virt. eigenvalues --    1.54590   1.54909   1.55376   1.55617   1.56202
 Alpha virt. eigenvalues --    1.56597   1.56842   1.57177   1.57682   1.58322
 Alpha virt. eigenvalues --    1.58379   1.58649   1.58734   1.59126   1.59628
 Alpha virt. eigenvalues --    1.59772   1.60163   1.60556   1.60867   1.61543
 Alpha virt. eigenvalues --    1.61902   1.61990   1.62337   1.62790   1.63034
 Alpha virt. eigenvalues --    1.63266   1.63443   1.63895   1.64351   1.64589
 Alpha virt. eigenvalues --    1.64917   1.65059   1.65596   1.65971   1.66260
 Alpha virt. eigenvalues --    1.66730   1.67158   1.67260   1.67363   1.67810
 Alpha virt. eigenvalues --    1.68078   1.68264   1.68456   1.68672   1.68819
 Alpha virt. eigenvalues --    1.69554   1.70065   1.70448   1.70799   1.71123
 Alpha virt. eigenvalues --    1.71348   1.71466   1.71809   1.71969   1.72149
 Alpha virt. eigenvalues --    1.72730   1.73109   1.73601   1.73897   1.73972
 Alpha virt. eigenvalues --    1.74290   1.74380   1.74864   1.74941   1.75223
 Alpha virt. eigenvalues --    1.75347   1.75584   1.76110   1.76205   1.76528
 Alpha virt. eigenvalues --    1.76794   1.77228   1.77386   1.77813   1.77940
 Alpha virt. eigenvalues --    1.78129   1.79101   1.79195   1.79603   1.80206
 Alpha virt. eigenvalues --    1.80630   1.80735   1.81100   1.81276   1.82131
 Alpha virt. eigenvalues --    1.82504   1.82648   1.82765   1.83064   1.83469
 Alpha virt. eigenvalues --    1.83807   1.84087   1.84316   1.84745   1.84896
 Alpha virt. eigenvalues --    1.84978   1.85509   1.85532   1.86130   1.86562
 Alpha virt. eigenvalues --    1.86811   1.86896   1.87232   1.87482   1.87854
 Alpha virt. eigenvalues --    1.87974   1.88359   1.88695   1.88978   1.89129
 Alpha virt. eigenvalues --    1.89686   1.89908   1.90266   1.90439   1.91240
 Alpha virt. eigenvalues --    1.91356   1.91635   1.91818   1.92105   1.92686
 Alpha virt. eigenvalues --    1.93207   1.93474   1.93800   1.94210   1.94642
 Alpha virt. eigenvalues --    1.94830   1.95613   1.95741   1.96126   1.96591
 Alpha virt. eigenvalues --    1.97102   1.97287   1.97648   1.97818   1.98271
 Alpha virt. eigenvalues --    1.98532   1.98781   1.99127   1.99652   1.99972
 Alpha virt. eigenvalues --    2.00246   2.00586   2.00844   2.01216   2.01599
 Alpha virt. eigenvalues --    2.02057   2.02303   2.02948   2.03352   2.03768
 Alpha virt. eigenvalues --    2.03981   2.04717   2.05078   2.05288   2.06102
 Alpha virt. eigenvalues --    2.06198   2.06999   2.07599   2.08108   2.08208
 Alpha virt. eigenvalues --    2.08654   2.08767   2.09005   2.09614   2.09961
 Alpha virt. eigenvalues --    2.10511   2.10889   2.11895   2.12117   2.12243
 Alpha virt. eigenvalues --    2.12350   2.13064   2.13540   2.13857   2.14561
 Alpha virt. eigenvalues --    2.14829   2.14884   2.15220   2.15390   2.15972
 Alpha virt. eigenvalues --    2.17051   2.17333   2.18411   2.18878   2.19120
 Alpha virt. eigenvalues --    2.19747   2.20058   2.20450   2.21070   2.21162
 Alpha virt. eigenvalues --    2.21814   2.22283   2.22924   2.23265   2.23658
 Alpha virt. eigenvalues --    2.24703   2.25045   2.25153   2.25584   2.26121
 Alpha virt. eigenvalues --    2.26350   2.26928   2.27439   2.27910   2.28290
 Alpha virt. eigenvalues --    2.28775   2.29743   2.29990   2.30305   2.30425
 Alpha virt. eigenvalues --    2.30733   2.31182   2.31789   2.32165   2.32190
 Alpha virt. eigenvalues --    2.33121   2.33292   2.33995   2.34468   2.34634
 Alpha virt. eigenvalues --    2.35429   2.35538   2.36133   2.36468   2.36923
 Alpha virt. eigenvalues --    2.36983   2.37401   2.37824   2.37925   2.38296
 Alpha virt. eigenvalues --    2.38893   2.39078   2.39220   2.40109   2.40500
 Alpha virt. eigenvalues --    2.41044   2.41455   2.41702   2.41944   2.42581
 Alpha virt. eigenvalues --    2.42957   2.43439   2.43752   2.44130   2.44687
 Alpha virt. eigenvalues --    2.45115   2.45814   2.46371   2.46642   2.46922
 Alpha virt. eigenvalues --    2.47445   2.48186   2.48468   2.48953   2.49359
 Alpha virt. eigenvalues --    2.49555   2.50144   2.50228   2.50804   2.50840
 Alpha virt. eigenvalues --    2.51984   2.52305   2.53002   2.53285   2.53757
 Alpha virt. eigenvalues --    2.54106   2.54286   2.54719   2.54833   2.55422
 Alpha virt. eigenvalues --    2.56130   2.56834   2.56873   2.57147   2.57543
 Alpha virt. eigenvalues --    2.57881   2.58005   2.58585   2.58783   2.59107
 Alpha virt. eigenvalues --    2.59568   2.59821   2.60401   2.60647   2.60897
 Alpha virt. eigenvalues --    2.61018   2.61063   2.61911   2.62193   2.62702
 Alpha virt. eigenvalues --    2.63049   2.63274   2.63642   2.63958   2.64185
 Alpha virt. eigenvalues --    2.64554   2.64647   2.64959   2.65265   2.65412
 Alpha virt. eigenvalues --    2.66083   2.66284   2.66645   2.67374   2.67989
 Alpha virt. eigenvalues --    2.68133   2.68433   2.69162   2.69548   2.69744
 Alpha virt. eigenvalues --    2.70140   2.70565   2.70896   2.71429   2.71577
 Alpha virt. eigenvalues --    2.72072   2.72208   2.72630   2.73079   2.73417
 Alpha virt. eigenvalues --    2.73724   2.74337   2.74573   2.75182   2.76015
 Alpha virt. eigenvalues --    2.76144   2.76548   2.77075   2.77391   2.77619
 Alpha virt. eigenvalues --    2.78101   2.78499   2.79247   2.79545   2.79986
 Alpha virt. eigenvalues --    2.80251   2.80811   2.81092   2.81185   2.81923
 Alpha virt. eigenvalues --    2.82221   2.82741   2.83040   2.83655   2.83830
 Alpha virt. eigenvalues --    2.84341   2.84559   2.84775   2.85208   2.85735
 Alpha virt. eigenvalues --    2.86173   2.86239   2.86731   2.87200   2.87587
 Alpha virt. eigenvalues --    2.88119   2.88278   2.88549   2.89152   2.89328
 Alpha virt. eigenvalues --    2.89579   2.89884   2.90268   2.90542   2.90800
 Alpha virt. eigenvalues --    2.90898   2.91104   2.91519   2.91682   2.91927
 Alpha virt. eigenvalues --    2.92510   2.92705   2.92934   2.93327   2.93657
 Alpha virt. eigenvalues --    2.93928   2.94191   2.94661   2.94725   2.95277
 Alpha virt. eigenvalues --    2.95572   2.95768   2.96289   2.96351   2.96627
 Alpha virt. eigenvalues --    2.96999   2.97094   2.97897   2.98115   2.98258
 Alpha virt. eigenvalues --    2.98583   2.98627   2.98863   2.99107   2.99290
 Alpha virt. eigenvalues --    2.99899   3.00146   3.00448   3.00965   3.01231
 Alpha virt. eigenvalues --    3.01655   3.01730   3.02041   3.02478   3.02946
 Alpha virt. eigenvalues --    3.03145   3.03595   3.03925   3.04475   3.04512
 Alpha virt. eigenvalues --    3.04663   3.05228   3.05360   3.05492   3.05951
 Alpha virt. eigenvalues --    3.05978   3.06310   3.06644   3.07081   3.07268
 Alpha virt. eigenvalues --    3.07349   3.07738   3.07820   3.08352   3.08479
 Alpha virt. eigenvalues --    3.08903   3.09197   3.09773   3.10523   3.10598
 Alpha virt. eigenvalues --    3.10774   3.11136   3.11367   3.11927   3.11982
 Alpha virt. eigenvalues --    3.12563   3.12809   3.13134   3.13491   3.13760
 Alpha virt. eigenvalues --    3.14269   3.14434   3.14796   3.14926   3.15315
 Alpha virt. eigenvalues --    3.15582   3.15847   3.15982   3.16118   3.16466
 Alpha virt. eigenvalues --    3.16905   3.17161   3.17726   3.17847   3.18139
 Alpha virt. eigenvalues --    3.18615   3.18759   3.19077   3.19168   3.19616
 Alpha virt. eigenvalues --    3.20235   3.20576   3.20877   3.21108   3.21663
 Alpha virt. eigenvalues --    3.21954   3.22363   3.23012   3.23189   3.23719
 Alpha virt. eigenvalues --    3.24032   3.24340   3.24798   3.25048   3.25132
 Alpha virt. eigenvalues --    3.25328   3.25516   3.25871   3.26209   3.26562
 Alpha virt. eigenvalues --    3.27205   3.27346   3.27844   3.28288   3.28747
 Alpha virt. eigenvalues --    3.28999   3.29306   3.29398   3.30409   3.30755
 Alpha virt. eigenvalues --    3.30960   3.31445   3.31726   3.31811   3.31964
 Alpha virt. eigenvalues --    3.32734   3.32981   3.33207   3.33670   3.34849
 Alpha virt. eigenvalues --    3.35048   3.35517   3.36101   3.36219   3.36596
 Alpha virt. eigenvalues --    3.36879   3.37309   3.37541   3.38286   3.38590
 Alpha virt. eigenvalues --    3.38994   3.39534   3.39863   3.40176   3.40859
 Alpha virt. eigenvalues --    3.41338   3.41543   3.42055   3.42214   3.42442
 Alpha virt. eigenvalues --    3.42771   3.43061   3.43247   3.43604   3.44043
 Alpha virt. eigenvalues --    3.44144   3.44785   3.45077   3.45582   3.46072
 Alpha virt. eigenvalues --    3.46160   3.46496   3.46761   3.47080   3.47374
 Alpha virt. eigenvalues --    3.47711   3.48041   3.48369   3.48551   3.48948
 Alpha virt. eigenvalues --    3.49275   3.49503   3.49833   3.50378   3.50568
 Alpha virt. eigenvalues --    3.50900   3.51754   3.51919   3.52135   3.52691
 Alpha virt. eigenvalues --    3.52840   3.53205   3.53682   3.53873   3.54185
 Alpha virt. eigenvalues --    3.54925   3.55060   3.55346   3.55697   3.55986
 Alpha virt. eigenvalues --    3.56287   3.56986   3.57087   3.57990   3.58138
 Alpha virt. eigenvalues --    3.59130   3.59440   3.59596   3.60435   3.61056
 Alpha virt. eigenvalues --    3.61868   3.62311   3.62916   3.63403   3.63539
 Alpha virt. eigenvalues --    3.64329   3.65367   3.65532   3.65958   3.66736
 Alpha virt. eigenvalues --    3.66847   3.66994   3.67563   3.67639   3.68228
 Alpha virt. eigenvalues --    3.68491   3.69002   3.69308   3.70555   3.71450
 Alpha virt. eigenvalues --    3.71671   3.72079   3.73471   3.74934   3.75405
 Alpha virt. eigenvalues --    3.75903   3.76237   3.77236   3.77489   3.77709
 Alpha virt. eigenvalues --    3.78520   3.78974   3.79510   3.80753   3.81761
 Alpha virt. eigenvalues --    3.81955   3.82677   3.83283   3.83335   3.84180
 Alpha virt. eigenvalues --    3.84420   3.84693   3.85578   3.86083   3.86484
 Alpha virt. eigenvalues --    3.87172   3.87894   3.88685   3.89290   3.89637
 Alpha virt. eigenvalues --    3.90177   3.90487   3.90800   3.91022   3.91309
 Alpha virt. eigenvalues --    3.91727   3.91770   3.92141   3.92429   3.93120
 Alpha virt. eigenvalues --    3.93748   3.94154   3.95132   3.95534   3.96040
 Alpha virt. eigenvalues --    3.96448   3.96716   3.97302   3.97433   3.97607
 Alpha virt. eigenvalues --    3.98643   3.98986   3.99287   3.99860   4.00519
 Alpha virt. eigenvalues --    4.00751   4.01916   4.02285   4.02517   4.02900
 Alpha virt. eigenvalues --    4.03745   4.04180   4.04623   4.05064   4.05453
 Alpha virt. eigenvalues --    4.06068   4.06573   4.07030   4.07419   4.07456
 Alpha virt. eigenvalues --    4.08300   4.08441   4.08555   4.08782   4.09288
 Alpha virt. eigenvalues --    4.11273   4.11459   4.11949   4.12187   4.12687
 Alpha virt. eigenvalues --    4.13293   4.13602   4.13823   4.14251   4.14488
 Alpha virt. eigenvalues --    4.14835   4.15237   4.15344   4.16132   4.16580
 Alpha virt. eigenvalues --    4.16850   4.17637   4.17794   4.18470   4.18762
 Alpha virt. eigenvalues --    4.18791   4.18950   4.19066   4.19598   4.20029
 Alpha virt. eigenvalues --    4.20200   4.20460   4.20764   4.21102   4.21929
 Alpha virt. eigenvalues --    4.22084   4.22813   4.23156   4.24174   4.24800
 Alpha virt. eigenvalues --    4.25070   4.25489   4.25686   4.26063   4.26617
 Alpha virt. eigenvalues --    4.26768   4.27499   4.27932   4.28208   4.28682
 Alpha virt. eigenvalues --    4.28846   4.29449   4.29651   4.30571   4.30720
 Alpha virt. eigenvalues --    4.31986   4.32362   4.33225   4.33618   4.35330
 Alpha virt. eigenvalues --    4.35927   4.36727   4.37733   4.38291   4.38830
 Alpha virt. eigenvalues --    4.40362   4.41249   4.41361   4.41832   4.42152
 Alpha virt. eigenvalues --    4.42349   4.42861   4.43002   4.43340   4.43818
 Alpha virt. eigenvalues --    4.44349   4.45619   4.47492   4.47636   4.48158
 Alpha virt. eigenvalues --    4.48511   4.48616   4.49913   4.50482   4.50563
 Alpha virt. eigenvalues --    4.51163   4.51629   4.51747   4.52523   4.53397
 Alpha virt. eigenvalues --    4.54102   4.54233   4.56049   4.56583   4.57066
 Alpha virt. eigenvalues --    4.57333   4.58245   4.58734   4.59215   4.59312
 Alpha virt. eigenvalues --    4.59540   4.60052   4.60167   4.61099   4.61559
 Alpha virt. eigenvalues --    4.62201   4.62499   4.63121   4.63974   4.64606
 Alpha virt. eigenvalues --    4.64873   4.64989   4.65156   4.65665   4.66659
 Alpha virt. eigenvalues --    4.67066   4.67631   4.68509   4.68514   4.69384
 Alpha virt. eigenvalues --    4.70433   4.71044   4.73020   4.73777   4.73825
 Alpha virt. eigenvalues --    4.74125   4.74498   4.75535   4.75966   4.76117
 Alpha virt. eigenvalues --    4.76525   4.76878   4.77561   4.77960   4.78632
 Alpha virt. eigenvalues --    4.79010   4.79329   4.79851   4.80519   4.80792
 Alpha virt. eigenvalues --    4.81040   4.81165   4.81500   4.81618   4.82131
 Alpha virt. eigenvalues --    4.82411   4.83066   4.83838   4.84333   4.84520
 Alpha virt. eigenvalues --    4.84656   4.84895   4.85775   4.85957   4.86409
 Alpha virt. eigenvalues --    4.86482   4.86824   4.87341   4.87880   4.88241
 Alpha virt. eigenvalues --    4.88476   4.88934   4.89129   4.89823   4.89949
 Alpha virt. eigenvalues --    4.90446   4.91223   4.91307   4.91535   4.91831
 Alpha virt. eigenvalues --    4.91935   4.92350   4.92612   4.93962   4.94564
 Alpha virt. eigenvalues --    4.94886   4.94953   4.95435   4.95765   4.96246
 Alpha virt. eigenvalues --    4.96719   4.96789   4.97169   4.98541   4.98603
 Alpha virt. eigenvalues --    4.99674   5.00640   5.00892   5.01356   5.02122
 Alpha virt. eigenvalues --    5.02348   5.03136   5.03390   5.03482   5.03904
 Alpha virt. eigenvalues --    5.04453   5.04898   5.05131   5.05672   5.05789
 Alpha virt. eigenvalues --    5.06373   5.06859   5.07164   5.07559   5.08126
 Alpha virt. eigenvalues --    5.09340   5.09760   5.10294   5.10644   5.11140
 Alpha virt. eigenvalues --    5.12498   5.14485   5.15059   5.15703   5.16183
 Alpha virt. eigenvalues --    5.17184   5.18955   5.19831   5.21167   5.21754
 Alpha virt. eigenvalues --    5.22544   5.23834   5.24982   5.26204   5.26818
 Alpha virt. eigenvalues --    5.27054   5.28114   5.28642   5.28883   5.29509
 Alpha virt. eigenvalues --    5.30764   5.31073   5.31492   5.32696   5.33299
 Alpha virt. eigenvalues --    5.33678   5.35188   5.35606   5.35678   5.36195
 Alpha virt. eigenvalues --    5.36564   5.36985   5.37718   5.38366   5.38655
 Alpha virt. eigenvalues --    5.39217   5.39897   5.40564   5.40855   5.41146
 Alpha virt. eigenvalues --    5.41944   5.42675   5.42978   5.43280   5.44094
 Alpha virt. eigenvalues --    5.44860   5.45629   5.46529   5.47018   5.47328
 Alpha virt. eigenvalues --    5.47447   5.49156   5.49332   5.49820   5.50510
 Alpha virt. eigenvalues --    5.51291   5.52019   5.52754   5.53294   5.54247
 Alpha virt. eigenvalues --    5.54779   5.55646   5.57312   5.58210   5.59213
 Alpha virt. eigenvalues --    5.59694   5.61365   5.62013   5.62635   5.63674
 Alpha virt. eigenvalues --    5.66690   5.67476   5.67827   5.71640   5.72182
 Alpha virt. eigenvalues --    5.75069   5.78686   5.79080   5.81200   5.82750
 Alpha virt. eigenvalues --    5.84343   5.85446   5.86482   5.88442   5.92659
 Alpha virt. eigenvalues --    5.94274   5.95474   5.96474   5.98561   5.99019
 Alpha virt. eigenvalues --    5.99450   6.00544   6.03481   6.04216   6.10824
 Alpha virt. eigenvalues --    6.11668   6.12075   6.12616   6.14469   6.15623
 Alpha virt. eigenvalues --    6.17447   6.18726   6.20534   6.21888   6.24608
 Alpha virt. eigenvalues --    6.28102   6.32507   6.40872   6.42326   6.46618
 Alpha virt. eigenvalues --    6.47867   6.51995   6.53926   6.57781   6.59288
 Alpha virt. eigenvalues --    6.63740   6.64946   6.66271   6.68734   6.72318
 Alpha virt. eigenvalues --    6.73166   6.74380   6.76502   6.77673   6.80352
 Alpha virt. eigenvalues --    6.82204   6.85775   6.86957   6.88583   6.97669
 Alpha virt. eigenvalues --    6.99847   7.05402   7.09747   7.14643   7.15938
 Alpha virt. eigenvalues --    7.16143   7.16473   7.21152   7.21318   7.22305
 Alpha virt. eigenvalues --    7.23837   7.24404   7.26368   7.27083   7.30188
 Alpha virt. eigenvalues --    7.30827   7.32436   7.33089   7.34079   7.34632
 Alpha virt. eigenvalues --    7.35939   7.36759   7.37114   7.37634   7.37764
 Alpha virt. eigenvalues --    7.38119   7.38959   7.39356   7.39579   7.42132
 Alpha virt. eigenvalues --    7.43910   7.44977   7.45471   7.46131   7.47217
 Alpha virt. eigenvalues --    7.48856   7.49011   7.49358   7.51314   7.52030
 Alpha virt. eigenvalues --    7.53349   7.53752   7.55884   7.55942   7.58408
 Alpha virt. eigenvalues --    7.58671   7.59310   7.60014   7.60242   7.60634
 Alpha virt. eigenvalues --    7.60915   7.62099   7.64052   7.65318   7.66439
 Alpha virt. eigenvalues --    7.67778   7.68117   7.68728   7.69671   7.72661
 Alpha virt. eigenvalues --    7.74723   7.75547   7.76270   7.76452   7.77145
 Alpha virt. eigenvalues --    7.78492   7.78956   7.80591   7.80853   7.80939
 Alpha virt. eigenvalues --    7.81633   7.82127   7.82892   7.83955   7.84741
 Alpha virt. eigenvalues --    7.85362   7.86255   7.87046   7.87257   7.87580
 Alpha virt. eigenvalues --    7.87988   7.88505   7.89090   7.89916   7.90800
 Alpha virt. eigenvalues --    7.91426   7.92642   7.92819   7.93696   7.94102
 Alpha virt. eigenvalues --    7.97231   7.98296   7.99316   7.99660   8.01460
 Alpha virt. eigenvalues --    8.02596   8.07014   8.08268   8.09565   8.10871
 Alpha virt. eigenvalues --    8.11743   8.12905   8.16237   8.18815   8.19633
 Alpha virt. eigenvalues --    8.22973   8.25813   8.27920   8.28348   8.28518
 Alpha virt. eigenvalues --    8.29406   8.30044   8.30845   8.32158   8.32521
 Alpha virt. eigenvalues --    8.33984   8.34450   8.34876   8.35204   8.35450
 Alpha virt. eigenvalues --    8.35856   8.36400   8.37267   8.38218   8.38489
 Alpha virt. eigenvalues --    8.38656   8.38886   8.39924   8.40130   8.40414
 Alpha virt. eigenvalues --    8.40822   8.40964   8.42201   8.42737   8.43015
 Alpha virt. eigenvalues --    8.43144   8.43372   8.43949   8.44241   8.44766
 Alpha virt. eigenvalues --    8.45477   8.45655   8.45755   8.46608   8.47027
 Alpha virt. eigenvalues --    8.47826   8.48244   8.49081   8.49637   8.50263
 Alpha virt. eigenvalues --    8.50826   8.52038   8.52832   8.53320   8.54115
 Alpha virt. eigenvalues --    8.54675   8.55110   8.55670   8.56094   8.57579
 Alpha virt. eigenvalues --    8.57730   8.58533   8.58608   8.59203   8.59907
 Alpha virt. eigenvalues --    8.60121   8.60946   8.61314   8.61895   8.62198
 Alpha virt. eigenvalues --    8.62922   8.63562   8.63976   8.64410   8.64618
 Alpha virt. eigenvalues --    8.65043   8.65163   8.65404   8.66053   8.66563
 Alpha virt. eigenvalues --    8.66755   8.66976   8.67619   8.67940   8.68525
 Alpha virt. eigenvalues --    8.68885   8.69545   8.70303   8.70513   8.70968
 Alpha virt. eigenvalues --    8.71260   8.71587   8.72112   8.72612   8.72758
 Alpha virt. eigenvalues --    8.73363   8.74344   8.75301   8.75986   8.76441
 Alpha virt. eigenvalues --    8.78060   8.78736   8.79411   8.80779   8.82863
 Alpha virt. eigenvalues --    8.83382   8.84606   8.86307   8.90451   8.92128
 Alpha virt. eigenvalues --    8.95180   8.99103   9.03203   9.03748   9.23653
 Alpha virt. eigenvalues --    9.24130   9.26608   9.27108   9.32097   9.34079
 Alpha virt. eigenvalues --    9.35666   9.36109   9.37473   9.44331   9.51550
 Alpha virt. eigenvalues --    9.52038   9.52137   9.52892   9.53399   9.54484
 Alpha virt. eigenvalues --    9.55429   9.57370   9.57650   9.61067   9.61252
 Alpha virt. eigenvalues --    9.61692   9.63192   9.67457   9.67896   9.68573
 Alpha virt. eigenvalues --    9.69051   9.70796   9.71281   9.71500   9.71769
 Alpha virt. eigenvalues --    9.74254   9.74281   9.74652   9.74924   9.75571
 Alpha virt. eigenvalues --    9.75940   9.76210   9.76732   9.79317   9.81072
 Alpha virt. eigenvalues --    9.81694   9.92371  10.42647  10.43259  10.43571
 Alpha virt. eigenvalues --   10.44156  10.51355  10.52055  10.52706  10.54103
 Alpha virt. eigenvalues --   10.54779  10.57405  10.58204  10.58561  10.58901
 Alpha virt. eigenvalues --   10.63057  10.66166  10.66227  10.81313  10.82720
 Alpha virt. eigenvalues --   10.83210  10.84219  10.91665  11.01967  11.06377
 Alpha virt. eigenvalues --   11.07885  11.12826  11.15639  11.20589  11.21217
 Alpha virt. eigenvalues --   11.31014  11.32576  11.36479  11.36727  11.44432
 Alpha virt. eigenvalues --   11.48047  11.50740  11.56760  11.83239  11.83712
 Alpha virt. eigenvalues --   14.39582  14.42709  14.43455  14.45588  14.47269
 Alpha virt. eigenvalues --   14.47792  14.48993  14.50561  14.51170  14.55330
 Alpha virt. eigenvalues --   14.58462  14.59055  14.62042  14.63217  14.63485
 Alpha virt. eigenvalues --   14.64889  14.68223  14.69631  14.77472  14.78612
 Alpha virt. eigenvalues --   14.82589  14.85730  14.88712  14.95257  15.06769
 Alpha virt. eigenvalues --   15.09291  15.13292  15.14093  15.31367  15.50788
 Alpha virt. eigenvalues --   15.57738  15.59447  15.61908  15.64415  15.76509
 Alpha virt. eigenvalues --   15.78361  15.83440  24.89331  24.90028  24.90985
 Alpha virt. eigenvalues --   24.99369  24.99969  25.06091  25.65769  25.66091
 Alpha virt. eigenvalues --   25.69269  25.70075  25.71770  25.72665  25.78401
 Alpha virt. eigenvalues --   25.80263  25.83942  25.95349  25.96194  26.11500
 Alpha virt. eigenvalues --   26.15268  26.23893  26.24957  26.26205  26.29235
 Alpha virt. eigenvalues --   35.32689  36.18254  36.19384  36.69444  36.70632
 Alpha virt. eigenvalues --   36.71933  36.72247  37.16126  45.01076  45.06799
 Alpha virt. eigenvalues --   45.09796  50.29462  50.32209  50.33850  50.36672
 Alpha virt. eigenvalues --   50.45403  50.57985 188.59556 980.07107
          Condensed to atoms (all electrons):
 Mulliken charges:
               1
     1  C   -0.126789
     2  C    0.047098
     3  C    0.298664
     4  C    0.417761
     5  O   -0.661613
     6  O   -0.749967
     7  C   -0.109855
     8  C    0.133222
     9  C    0.631565
    10  C    0.130664
    11  N   -1.079310
    12  C    0.813876
    13  N    0.109244
    14  C   -0.170219
    15  C    0.109628
    16  C    0.516719
    17  C    0.309808
    18  N   -1.099997
    19  C    0.598291
    20  N   -0.317521
    21  H   -0.058292
    22  H   -0.020486
    23  H   -0.005598
    24  H    0.062401
    25  H   -0.034799
    26  H   -0.081070
    27  H    0.022025
    28  H    0.014576
    29  H    0.080323
    30  H    0.008400
    31  H   -0.000885
    32  H    0.009914
    33  H   -0.193923
    34  H    0.393262
    35  H   -0.039759
    36  H    0.019252
    37  H    0.018722
    38  H    0.059344
    39  H   -0.005546
    40  H    0.015637
    41  H   -0.124012
    42  H    0.367340
    43  H   -0.055242
    44  O   -1.421066
    45  H    0.669258
    46  H    0.988934
    47  C    0.851205
    48  O   -0.653257
    49  N   -0.928397
    50  C    0.279467
    51  C    0.669205
    52  O   -0.725144
    53  N   -0.831207
    54  H    0.070829
    55  H   -0.045847
    56  H    0.306202
    57  H    0.283862
    58  C    0.331375
    59  H   -0.105712
    60  H   -0.010449
    61  H    0.185422
    62  C   -0.194425
    63  H    0.039855
    64  H    0.056845
    65  H   -0.034221
    66  Zn   1.078941
    67  C    0.075995
    68  H   -0.045793
    69  H    0.034569
    70  C    0.070887
    71  H    0.081080
    72  H   -0.087803
    73  O   -0.346115
    74  C    0.324418
    75  N   -0.776160
    76  H    0.299290
    77  H    0.463654
    78  C   -0.284349
    79  H   -0.001520
    80  H    0.014101
    81  H    0.063218
 Sum of Mulliken charges =   1.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.211164
     2  C    0.074700
     3  C    0.239618
     4  C    0.417761
     5  O   -0.661613
     6  O    0.238967
     7  C   -0.006557
     8  C    0.142250
     9  C    0.631565
    10  C   -0.063260
    11  N   -0.686048
    12  C    0.774116
    13  N    0.109244
    14  C   -0.072901
    15  C    0.119720
    16  C    0.516719
    17  C    0.185796
    18  N   -0.732656
    19  C    0.543049
    20  N   -0.317521
    44  O   -0.751807
    47  C    0.851205
    48  O   -0.653257
    49  N   -0.622195
    50  C    0.304450
    51  C    0.669205
    52  O   -0.725144
    53  N   -0.547345
    58  C    0.400636
    62  C   -0.131946
    66  Zn   1.078941
    67  C    0.064771
    70  C    0.064165
    73  O   -0.346115
    74  C    0.324418
    75  N   -0.013215
    78  C   -0.208550
 Electronic spatial extent (au):  <R**2>=          19773.9910
 Charge=              1.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             10.9112    Y=             -2.9785    Z=              0.4096  Tot=             11.3178
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -173.3811   YY=           -143.2896   ZZ=           -170.8781
   XY=             -3.8573   XZ=            -11.3578   YZ=             -5.5026
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -10.8648   YY=             19.2267   ZZ=             -8.3619
   XY=             -3.8573   XZ=            -11.3578   YZ=             -5.5026
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            243.1264  YYY=           -111.2204  ZZZ=            -37.6313  XYY=             26.7406
  XXY=            -48.4107  XXZ=             62.9410  XZZ=            103.1763  YZZ=             19.6961
  YYZ=           -158.7528  XYZ=             36.5779
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=         -10189.3204 YYYY=          -6443.2068 ZZZZ=          -5782.9964 XXXY=            -50.4077
 XXXZ=            134.2008 YYYX=             -2.1654 YYYZ=            -92.7999 ZZZX=           -183.1162
 ZZZY=           -212.9385 XXYY=          -2806.0856 XXZZ=          -2548.0826 YYZZ=          -1830.7269
 XXYZ=            143.9162 YYXZ=            -53.0548 ZZXY=              2.2038
 N-N= 5.495391354021D+03 E-N=-1.928089766523D+04  KE= 3.505156531379D+03
 1\1\GINC-LONG-70A4001LUX\SP\RB3PW91\6-311++G(3df,3pd)\C23H44N7O6Zn1(1+
 )\LONG\24-Jun-2020\0\\# b3pw91/6-311++g(3df,3pd) geom=connectivity\\5h
 8x\\1,1\C,-1,5.627181,-1.234548,0.93588\C,0,6.131108,-0.05569,0.076462
 \C,0,5.179277,1.158188,0.095753\C,0,3.851201,0.901518,-0.613766\O,0,3.
 728669,0.063806,-1.552396\O,0,2.819329,1.65189,-0.177896\C,-1,2.518886
 ,-4.902524,-1.634638\C,0,1.256701,-4.901445,-2.522876\C,0,0.386869,-3.
 695409,-2.289097\C,0,0.450031,-2.667943,-1.361959\N,0,-0.732202,-3.392
 583,-3.08565\C,0,-1.292974,-2.221841,-2.638846\N,0,-0.596567,-1.760463
 ,-1.591578\C,-1,-4.495556,-3.440962,2.495411\C,0,-4.838555,-1.952703,2
 .715859\C,0,-3.922614,-1.023765,1.963965\C,0,-2.910939,-1.248785,1.043
 145\N,0,-3.966451,0.373204,2.110184\C,0,-3.006649,0.935723,1.30162\N,0
 ,-2.352441,-0.026143,0.641126\H,0,4.661395,-1.598855,0.562208\H,0,5.50
 7553,-0.935584,1.988179\H,0,6.33535,-2.072625,0.90776\H,0,7.12023,0.26
 3732,0.434611\H,0,6.250482,-0.389902,-0.961316\H,0,4.968171,1.486151,1
 .12165\H,0,5.654331,2.010729,-0.414151\H,0,3.132828,-4.013652,-1.82066
 6\H,0,3.128251,-5.788347,-1.8453\H,0,2.25479,-4.922545,-0.57002\H,0,1.
 56064,-4.931615,-3.580065\H,0,0.678852,-5.819702,-2.337452\H,0,1.16509
 9,-2.497471,-0.575201\H,0,-1.057655,-3.940326,-3.872166\H,0,-2.148408,
 -1.738717,-3.081892\H,0,-4.583185,-3.716708,1.437276\H,0,-3.474672,-3.
 665714,2.826804\H,0,-5.183535,-4.075969,3.064302\H,0,-4.786927,-1.7259
 88,3.79148\H,0,-5.880444,-1.772652,2.410388\H,0,-2.543927,-2.185333,0.
 658378\H,0,-4.591063,0.879969,2.724551\H,0,-2.794765,1.98959,1.227625\
 O,0,0.908975,0.985439,-1.513944\H,0,1.383126,0.438123,-2.175897\H,0,1.
 836462,1.376241,-0.797212\C,0,-2.794722,1.970478,-2.322115\O,0,-2.1263
 63,0.904663,-2.15223\N,0,-2.219342,3.206211,-2.256453\C,0,-0.776868,3.
 414398,-2.111622\C,0,-0.291757,3.505355,-0.658402\O,0,-0.763469,2.7306
 67,0.240171\N,0,0.706075,4.387572,-0.427834\H,0,-0.242649,2.538988,-2.
 507969\H,0,-0.489167,4.303938,-2.682973\H,0,-2.814395,4.019598,-2.3616
 78\H,0,1.06152,4.924444,-1.211311\C,0,1.470904,4.443036,0.833371\H,0,2
 .049759,5.370734,0.853104\H,0,0.779566,4.443688,1.682238\H,0,2.147025,
 3.581429,0.891764\C,0,-4.27824,1.915065,-2.631808\H,0,-4.422053,1.4254
 65,-3.602088\H,0,-4.780167,1.30035,-1.877694\H,0,-4.75046,2.902076,-2.
 666205\Zn,0,-0.682132,0.115577,-0.657958\C,0,1.887857,-0.373354,4.4868
 49\H,0,2.125745,0.689936,4.649212\H,0,2.70793,-0.927912,4.961891\C,0,1
 .9063,-0.714069,2.978636\H,0,2.912508,-0.546355,2.566446\H,0,1.683226,
 -1.776487,2.829595\O,0,0.502381,-0.484643,1.017612\C,0,0.948892,0.0603
 43,2.081603\N,0,0.614476,1.330175,2.415001\H,0,1.008625,1.760035,3.240
 409\H,0,0.09193,1.911607,1.751143\C,0,0.560507,-0.735354,5.187921\H,0,
 0.358524,-1.811038,5.102175\H,0,0.601919,-0.487375,6.255603\H,0,-0.290
 451,-0.197903,4.749024\\Version=ES64L-G09RevD.01\State=1-A\HF=-3516.83
 66544\RMSD=3.889e-09\Dipole=-4.2927883,1.1718353,0.1611396\Quadrupole=
 -8.0777423,14.2945781,-6.2168358,-2.8678132,8.444253,4.0910212\PG=C01 
 [X(C23H44N7O6Zn1)]\\@


 WE STILL HAVE JUDGEMENT HERE,
 THAT WE TEACH BUT BLOODY INSTRUCTIONS,
 WHICH, BEING TAUGHT,
 RETURN TO PLAGUE THE INVENTOR.
           MACBETH ACT I, SCENE VII
 Job cpu time:       2 days  4 hours 12 minutes 34.4 seconds.
 File lengths (MBytes):  RWF=   2655 Int=      0 D2E=      0 Chk=    179 Scr=      1
 Normal termination of Gaussian 09 at Wed Jun 24 16:07:42 2020.
